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CHEBI:220870 - Panutorulon A

ChEBI IDCHEBI:220870
ChEBI NamePanutorulon A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC15H24O3
Net Charge0
Average Mass252.354
Monoisotopic Mass252.17254
SMILESCC1=C[C@H]2[C@H](C(C)CO)CC[C@@](C)(O)[C@H]2CC1=O
InChIInChI=1S/C15H24O3/c1-9-6-12-11(10(2)8-16)4-5-15(3,18)13(12)7-14(9)17/h6,10-13,16,18H,4-5,7-8H2,1-3H3/t10?,11-,12-,13-,15+/m0/s1
InChIKeyAUAYNTTZEATGKB-IYKQQMQXSA-N
Species of MetaboliteComponentSourceComments
Panus conchatus (ncbitaxon:60114) - PubMed (29224363)
ChEBI Ontology
Outgoing Relation(s)
Panutorulon A (CHEBI:220870) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(4aR,5R,8R,8aS)-8-hydroxy-5-(1-hydroxypropan-2-yl)-3,8-dimethyl-1,4a,5,6,7,8a-hexahydronaphthalen-2-one
Manual XrefsDatabases
78441871ChemSpider